N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C8H11N5OS2 — CID 18166440

IUPACN-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2nc(C)no2)s1
InChIInChI=1S/C8H11N5OS2/c1-3-9-7-11-12-8(16-7)15-4-6-10-5(2)13-14-6/h3-4H2,1-2H3,(H,9,11)
InChIKeyHBQIPHGPMKBWRX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds5

About N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18166440) has the molecular formula C8H11N5OS2 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18166440
Molecular FormulaC8H11N5OS2
Molecular Weight257.34 g/mol
Exact Mass257.04
IUPAC NameN-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2nc(C)no2)s1
InChIInChI=1S/C8H11N5OS2/c1-3-9-7-11-12-8(16-7)15-4-6-10-5(2)13-14-6/h3-4H2,1-2H3,(H,9,11)
InChIKeyHBQIPHGPMKBWRX-UHFFFAOYSA-N
XLogP1.95
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 18166440) is N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2nc(C)no2)s1.
What is the InChIKey of N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HBQIPHGPMKBWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS2/c1-3-9-7-11-12-8(16-7)15-4-6-10-5(2)13-14-6/h3-4H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18166440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).